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  1. Third-Parties
  2. MatprojStructure
  3. mp-1075989

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1075989
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Co', 'Cu', 'O']
  • Chemical System: Ba-Co-Cu-O-Sr
  • Density: 5.8165266887455225
  • Atomic Density: 0.0812721117207688
  • Unit Cell Volume: 492.17375004885156
  • Molar Volume: 7.409849002928103
  • Full Formula: Ba3 Sr5 Co4 Cu4 O24
  • Reduced Formula: Ba3Sr5Co4(CuO6)4
  • Formula Anonymous: A3B4C4D5E24
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -250.54451438
  • Final energy per atom: -6.2636128595
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.